Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Ferrocene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil519.KN/ABaev, Barkatin, et al., 1979Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus447.0KN/ATomassetti, Curini, et al., 1981DH
Tfus446.KN/AMurray, Cavell, et al., 1980Uncertainty assigned by TRC = 0.5 K; TRC
Tfus451.3KN/ABaev, Barkatin, et al., 1979Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap64.7 ± 0.4kJ/molEBNisel'son, Sokolova, et al., 1972Based on data from 519. - 604. K. See also Emel'yanenko, Verevkin, et al., 2007.; AC
Quantity Value Units Method Reference Comment
Deltasub73. ± 4.kJ/molAVGN/AAverage of 23 out of 25 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
47.3471.AStephenson and Malanowski, 1987Based on data from 456. - 523. K. See also Dykyj, Svoboda, et al., 1999.; AC
49.8466.AStephenson and Malanowski, 1987Based on data from 451. - 523. K. See also Barkatin, Gaidym, et al., 1977.; AC
44.7561.EBNisel'son, Sokolova, et al., 1972Based on data from 519. - 604. K.; AC
47.3456.N/AKaplan, Kester, et al., 1952AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
73.2 ± 1.9301.MELousada, Pinto, et al., 2008Based on data from 298. - 304. K.; AC
72.6 ± 0.1313.CMonte, Santos, et al., 2006AC
73.1 ± 1.4333.DSCRojas-Aguilar, Orozco-Guareño, et al., 2001See also Emel'yanenko, Verevkin, et al., 2007.; AC
72.5 ± 1.0296.MEDa Silva and Monte, 1990Based on data from 292. - 300. K.; AC
72.1 ± 0.4294.METorres-Gómez, Barreiro-Rodríguez, et al., 1988Based on data from 278. - 309. K.; AC
64.6397.AStephenson and Malanowski, 1987Based on data from 348. - 446. K.; AC
70. ± 2.328. - 398.DSCMurray, Cavell, et al., 1980AC
84.0 ± 2.0385. - 455.DSCBeech and Lintonbon, 1971AC
83.3323. - 367.MECordes and Schreiner, 1959AC
70.5406.N/AKaplan, Kester, et al., 1952Based on data from 357. - 455. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
17.8448.5DSCLousada, Pinto, et al., 2008AC
17.49447.6DSCDa«807»browski, Misterkiewicz, et al., 2001AC
17.78448.2N/AOgasahara, Sorai, et al., 1981See also Jons and Gjaldbaek, 1969.; AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.900163.9crystaline, IIIcrystaline, IIOgasahara, Sorai, et al., 1981Lambda transition with a subsidiary Cp maximum at 169 K between metastable LT and undercooled HT phases.; DH
4.145242.crystaline, IIcrystaline, IOgasahara, Sorai, et al., 1981Phase transition between stable LT and stable HT phases.; DH
0.853164.crystaline, IIcrystaline, IPommier and Azokpota, 1976DH
0.854169.crystaline, IIcrystaline, IEdwards, Kington, et al., 1960Lambda transtion at 163.9 K with a secondary transition at 169 K. Data given for overall transition.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
5.5163.9crystaline, IIIcrystaline, IIOgasahara, Sorai, et al., 1981Lambda; DH
17.13242.crystaline, IIcrystaline, IOgasahara, Sorai, et al., 1981Phase; DH
5.31164.crystaline, IIcrystaline, IPommier and Azokpota, 1976DH
5.31169.crystaline, IIcrystaline, IEdwards, Kington, et al., 1960Lambda; DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

Go To: Top, Phase change data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Baev, Barkatin, et al., 1979
Baev, A.K.; Barkatin, A.A.; Gubin, S.P.; Dyagileva, S.P., Thermodynamics of phase transitions and vapor state of some compounds of elements with incomplete d-shells in Vses. Konf. po Kalorimetrii i Khim. Termodinamike, 8th, Ivanovo, p 386-389, 1979. [all data]

Tomassetti, Curini, et al., 1981
Tomassetti, M.; Curini, R.; D'Ascenzo, G.; Ortaggi, G., Heat capacities of ferrocene, acetyl-, 1,1'-diacetyl-, benzoyl-, and 1,1'-dibenzoylferrocene by DSC, Thermochim. Acta, 1981, 48, 333-341. [all data]

Murray, Cavell, et al., 1980
Murray, J.P.; Cavell, K.J.; Hill, J.O., A DSC study of benzoic acid: a suggested calibrant compound, Thermochimica Acta, 1980, 36, 1, 97-101, https://doi.org/10.1016/0040-6031(80)80114-6 . [all data]

Nisel'son, Sokolova, et al., 1972
Nisel'son, L.A.; Sokolova, T.D.; Nikolaev, R.K., Vestn. Mosk. Univ., Ser. 2: Khim., 1972, 13, 4, 432. [all data]

Emel'yanenko, Verevkin, et al., 2007
Emel'yanenko, Vladimir N.; Verevkin, Sergey P.; Krol, Olesya V.; Varushchenko, Raisa M.; Chelovskaya, Nelly V., Vapour pressures and enthalpies of vaporization of a series of the ferrocene derivatives, The Journal of Chemical Thermodynamics, 2007, 39, 4, 594-601, https://doi.org/10.1016/j.jct.2006.09.001 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Barkatin, Gaidym, et al., 1977
Barkatin, A.A.; Gaidym, I.L.; Baev, A.K., Khim. Khim. Technol. (USSR), 1977, 12, 44. [all data]

Kaplan, Kester, et al., 1952
Kaplan, Louis; Kester, William L.; Katz, Joseph J., Some Properties of Iron Biscyclopentadienyl, J. Am. Chem. Soc., 1952, 74, 21, 5531-5532, https://doi.org/10.1021/ja01141a518 . [all data]

Lousada, Pinto, et al., 2008
Lousada, Cláudio M.; Pinto, Susana S.; Canongia Lopes, José N.; Minas da Piedade, M. Fátima; Diogo, Hermínio P.; Minas da Piedade, Manuel E., Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(«eta» 5 -C 5 H 4 CH 3 ) 2 and Fe[(«eta» 5 -(C 5 H 5 )(«eta» 5 -C 5 H 4 CHO)], J. Phys. Chem. A, 2008, 112, 13, 2977-2987, https://doi.org/10.1021/jp7107818 . [all data]

Monte, Santos, et al., 2006
Monte, Manuel J.S.; Santos, Luís M.N.B.F.; Fulem, Michal; Fonseca, José M.S.; Sousa, Carlos A.D., New Static Apparatus and Vapor Pressure of Reference Materials: Naphthalene, Benzoic Acid, Benzophenone, and Ferrocene, J. Chem. Eng. Data, 2006, 51, 2, 757-766, https://doi.org/10.1021/je050502y . [all data]

Rojas-Aguilar, Orozco-Guareño, et al., 2001
Rojas-Aguilar, Aarón; Orozco-Guareño, Eulogio; Martínez-Herrera, Melchor, An experimental system for measurement of enthalpies of sublimation by d.s.c., The Journal of Chemical Thermodynamics, 2001, 33, 10, 1405-1418, https://doi.org/10.1006/jcht.2001.0857 . [all data]

Da Silva and Monte, 1990
Da Silva, Manuel A.V. Ribeiro; Monte, Manuel J.S., The construction, testing and use of a new knudsen effusion apparatus, Thermochimica Acta, 1990, 171, 169-183, https://doi.org/10.1016/0040-6031(90)87017-7 . [all data]

Torres-Gómez, Barreiro-Rodríguez, et al., 1988
Torres-Gómez, Luis Alfonso; Barreiro-Rodríguez, Guadalupe; Méndez-Ruíz, Francisco, Vapour pressures and enthalpies of sublimation of ferrocene, cobaltocene and nickelocene, Thermochimica Acta, 1988, 124, 179-183, https://doi.org/10.1016/0040-6031(88)87020-5 . [all data]

Beech and Lintonbon, 1971
Beech, Graham; Lintonbon, Roger M., The measurement of sublimation enthalpies by differential scanning calorimetry, Thermochimica Acta, 1971, 2, 1, 86-88, https://doi.org/10.1016/0040-6031(71)85027-X . [all data]

Cordes and Schreiner, 1959
Cordes, J.F.; Schreiner, S., Dampfdruckmessungen bei einigen Aromatenkomplexen, Z. Anorg. Allg. Chem., 1959, 299, 1-2, 87-91, https://doi.org/10.1002/zaac.19592990111 . [all data]

Da«807»browski, Misterkiewicz, et al., 2001
Da«807»browski, Marek; Misterkiewicz, Boguslaw; Sporzynski, Andrzej, Solubilities of Substituted Ferrocenes in Organic Solvents, J. Chem. Eng. Data, 2001, 46, 6, 1627-1631, https://doi.org/10.1021/je010197q . [all data]

Ogasahara, Sorai, et al., 1981
Ogasahara, K.; Sorai, M.; Suga, H., Thermodynamic properties of ferrocene crystal, Mol. Cryst. Liq. Cryst., 1981, 71, 189-211. [all data]

Jons and Gjaldbaek, 1969
Jons, O.; Gjaldbaek, JC., Dan. Tidsskr. Farm., 1969, 43, 7, 151. [all data]

Pommier and Azokpota, 1976
Pommier, C.; Azokpota, C., Study of phase transitions in metallocenes by determining specific heat curves, J. Calorim. Anal. Therm. [C.R.], 1976, 3-6, 1-8. [all data]

Edwards, Kington, et al., 1960
Edwards, J.W.; Kington, G.L.; Mason, R., The thermodynamic properties of ferrocene. Part 1. The low-temperature transition in ferrocene crystals, Trans. Faraday Soc., 1960, 56, 660-669. [all data]


Notes

Go To: Top, Phase change data, References